1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene

C23H25F5 — CID 18343984

IUPAC1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
SMILESCCCC1CCC(C(F)(F)Cc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H25F5/c1-2-3-15-4-8-18(9-5-15)23(27,28)14-16-6-10-19(21(25)12-16)17-7-11-20(24)22(26)13-17/h6-7,10-13,15,18H,2-5,8-9,14H2,1H3
InChIKeyGDSFZQBYGXFUMF-UHFFFAOYSA-N
MW396.44 g/mol
LogP7.56
Rot. Bonds6

About 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene

1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene (PubChem CID 18343984) has the molecular formula C23H25F5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
PubChem CID18343984
Molecular FormulaC23H25F5
Molecular Weight396.44 g/mol
Exact Mass396.19
IUPAC Name1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
SMILESCCCC1CCC(C(F)(F)Cc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H25F5/c1-2-3-15-4-8-18(9-5-15)23(27,28)14-16-6-10-19(21(25)12-16)17-7-11-20(24)22(26)13-17/h6-7,10-13,15,18H,2-5,8-9,14H2,1H3
InChIKeyGDSFZQBYGXFUMF-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]phenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 18344457
5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene
CID 18344427
1-chloro-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344083
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 139708964
1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344100
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
CID 18344238
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
2-fluoro-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 54120723
4-[2,2-difluoro-2-[4-(4-fluorobutyl)cyclohexyl]ethyl]-1-ethyl-2-fluorobenzene
CID 18344291
5-(4-butylcyclohexyl)-2-[4-(3,4-difluorophenyl)-3-fluorophenyl]pyrimidine
CID 20708946

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene?
The IUPAC name of 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene (CID 18343984) is 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene is CCCC1CCC(C(F)(F)Cc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene?
The InChIKey is GDSFZQBYGXFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F5/c1-2-3-15-4-8-18(9-5-15)23(27,28)14-16-6-10-19(21(25)12-16)17-7-11-20(24)22(26)13-17/h6-7,10-13,15,18H,2-5,8-9,14H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene?
1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene has a molecular weight of 396.44 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene is sourced from PubChem (CID 18343984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).